IBS-ZINC01245725 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 -0.4980 -1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7110 -0.4890 1.1890 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1420 -1.3050 2.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1330 -1.8470 2.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4480 -2.6410 3.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5030 -2.9090 4.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7680 -2.3800 4.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0950 -1.5780 3.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3330 -0.8740 2.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4820 -0.8510 3.3770 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5580 -0.1280 2.8480 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7390 -0.1050 3.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8700 -0.7100 4.5390 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8970 0.6740 2.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0570 0.5410 3.8120 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2150 1.1570 3.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2970 1.8210 2.4900 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4080 1.0210 4.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5660 1.8000 3.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7430 3.1260 4.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8040 3.8420 3.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6920 3.2290 2.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5120 1.8980 2.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4530 1.1840 2.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7350 3.9310 2.2820 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6090 3.2350 1.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9940 -0.2070 1.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7420 0.4790 0.8010 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7410 -0.1200 -1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7330 -1.5870 -1.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 -0.1360 -2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8780 -1.6450 1.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4400 -3.0580 3.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7610 -3.5310 5.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5050 -2.5880 5.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4540 0.3570 2.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1460 0.2840 1.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6220 1.7250 2.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9920 0.0100 4.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1590 1.4100 5.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6840 -0.0300 4.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0520 3.6030 4.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9420 4.8780 3.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2010 1.4180 1.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3150 0.1470 2.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0420 2.8810 0.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3970 3.9090 1.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0540 2.3850 1.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 34 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 38 1 0 0 0 0 7 8 1 0 0 0 0 7 39 1 0 0 0 0 8 9 2 0 0 0 0 8 40 1 0 0 0 0 9 10 1 0 0 0 0 9 41 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 29 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 42 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 45 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 48 1 0 0 0 0 23 24 1 0 0 0 0 23 49 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 27 28 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 29 30 2 0 0 0 0 M END